Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.2180    0.7101   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045    0.0785    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587   -0.5414   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199   -0.0295    0.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315   -0.5448   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162   -1.4576   -1.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -0.0144    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134   -0.2177    1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159   -0.8128   -0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269    1.4362   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0942    1.1924    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506    0.7858   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    0.0237    1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -0.5049   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606   -1.6326    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -0.0260    1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812   -1.3047    1.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247    0.4317    2.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757   -1.8784   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6368   -0.4442   -0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194   -0.7593   -1.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    1.5484   -1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761    2.0256    0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7564    1.9357   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers